CID 14076603

Schembl16663911

Structural Information

Molecular Formula
C15H24O
SMILES
CC(=C)C1CCC2(CCC(C(=C)C2C1)O)C
InChI
InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12-14,16H,1,3,5-9H2,2,4H3
InChIKey
CZFHAODYOVXPIQ-UHFFFAOYSA-N
Compound name
4a-methyl-1-methylidene-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

220.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 153.1
[M+Na]+ 243.171928 157.9
[M-H]- 219.175434 155.1
[M+NH4]+ 238.216533 174.1
[M+K]+ 259.145868 153.9
[M+H-H2O]+ 203.179970 148.4
[M+HCOO]- 265.180911 166.2
[M+CH3COO]- 279.196561 190.3
[M+Na-2H]- 241.157376 153.7
[M]+ 220.18216142 145.6
[M]- 220.18325858 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe